- FMCS 1.
0 - Find Maximum Common Substructure
+ FMCS 1. - Find Maximum Common Substructure
Find the MCS of a group (or cluster) of chemical structures and report
the result as a SMARTS string. It depends on RDKit cheminformatics
in C++ would have different tradeoffs.
-__version_info = (1, 0, 0)
+__version_info = (1, 1, 0)
from distutils.core import setup
description="Find a maximum common substructure from a set of structures using RDKit",